1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol

C15H26OS — CID 79558650

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
SMILESOC(CSC1CCCC1)CC1CC2CCC1C2
InChIInChI=1S/C15H26OS/c16-14(10-17-15-3-1-2-4-15)9-13-8-11-5-6-12(13)7-11/h11-16H,1-10H2
InChIKeyPKOFGWYJLIHWQS-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol (PubChem CID 79558650) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
PubChem CID79558650
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol
SMILESOC(CSC1CCCC1)CC1CC2CCC1C2
InChIInChI=1S/C15H26OS/c16-14(10-17-15-3-1-2-4-15)9-13-8-11-5-6-12(13)7-11/h11-16H,1-10H2
InChIKeyPKOFGWYJLIHWQS-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
1-(2-bicyclo[2.2.1]heptanyl)-5-chloropentan-2-ol
CID 79558762
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
1-(2-bicyclo[2.2.1]heptanyl)hex-4-yn-2-ol
CID 115779959
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
2-(2-bicyclo[2.2.1]heptanyl)-1-(oxolan-2-yl)ethanol
CID 79558980
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
CID 112562649
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol (CID 79558650) is 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol is OC(CSC1CCCC1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol?
The InChIKey is PKOFGWYJLIHWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c16-14(10-17-15-3-1-2-4-15)9-13-8-11-5-6-12(13)7-11/h11-16H,1-10H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol has a molecular weight of 254.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentylsulfanylpropan-2-ol is sourced from PubChem (CID 79558650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).